Summary of Study ST000826

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR000588. The data can be accessed directly via it's Project DOI: 10.21228/M8NX03 This work is supported by NIH grant, U2C- DK119886.


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Study IDST000826
Study TitleCHEAR Christiani NMR
Study SummaryHuman cord blood serum samples (200) were provided by David Christiani. The 200 study samples, total pool samples, and external CHEAR Plasma Reference Material samples were prepared for NMR data collection and signals were library matched to metabolites to determine semi-quantitative concentration data using Chenomx NMR Suite 8.1.
RTI International
Last NameFennell
First NameTimothy
Address3040 E Cornwallis Rd, Durham, NC 27709
Submit Date2017-07-26
Total Subjects200
Study CommentsDue to sample volume limitations: study samples, study pools, and CHEAR reference samples were prepared using 150 uL of sample and diluted with 100 ul of 0.9% Saline buffer. This is a deviation from the CHEAR Proficiency testing in which 400 ul of CHEAR reference sample was used and diluted with 300 uL of 0.9% Saline buffer. Samples were then transfered into a 3 mm NMR tube, in this study, as opposed to a 5 mm NMR tube for the Proficiency testing. Data for this study were acquired on a 600 MHz Bruker NMR spectrometer. Data for the procficiency testing were acquired on a 700 MHz Bruker NMR spectrometer.
Raw Data AvailableYes
Raw Data File Type(s)r
Chear StudyYes
Analysis Type DetailNMR
Release Date2019-09-23
Release Version1
Timothy Fennell Timothy Fennell application/zip

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Project ID:PR000588
Project DOI:doi: 10.21228/M8NX03
Project Title:CHEAR Christiani NMR
Project Summary:Human cord blood serum samples (200) were provided by David Christiani. The 200 study samples, total pool samples, and external CHEAR Plasma Reference Material samples were prepared for NMR data collection and signals were library matched to metabolites to determine semi-quantitative concentration data using Chenomx NMR Suite 8.1.
Institute:RTI International
Last Name:Fennell
First Name:Timothy
Address:3040 East Cornwallis rd, Durham, NORTH CAROLINA, 27709, USA


Subject ID:SU000904
Subject Type:Human Chord Blood Serum
Subject Species:Homo sapiens
Taxonomy ID:9606
Species Group:Human


Subject type: Human Chord Blood Serum; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Pool Group Sample Type
SA049390PlasmaRef_20160726_6CHEAR Reference Reference Sample
SA049391PlasmaRef_20160726_8CHEAR Reference Reference Sample
SA049392PlasmaRef_20160726_9CHEAR Reference Reference Sample
SA049393PlasmaRef_20160726_5CHEAR Reference Reference Sample
SA049394PlasmaRef_20160726_7CHEAR Reference Reference Sample
SA049395PlasmaRef_20160726_4CHEAR Reference Reference Sample
SA049396PlasmaRef_20160726_1CHEAR Reference Reference Sample
SA049397PlasmaRef_20160726_2CHEAR Reference Reference Sample
SA049398PlasmaRef_20160726_3CHEAR Reference Reference Sample
SA049399CHE000278 0600Pool 1 Pool
SA049400CHE000278 0700Pool 1 Pool
SA049401CHE000278 0500Pool 1 Pool
SA049402CHE000278 0800Pool 1 Pool
SA049403CHE000278 1100Pool 1 Pool
SA049404CHE000278 0900Pool 1 Pool
SA049405CHE000278 0300Pool 1 Pool
SA049406CHE000278 0400Pool 1 Pool
SA049407CHE000278 0200Pool 1 Pool
SA049408CHE000278 1000Pool 1 Pool
SA049409C-Z5FN9-S-01Pool 1 Study Sample
SA049410C-Z9M00-S-01Pool 1 Study Sample
SA049411C-NPVS5-S-01Pool 1 Study Sample
SA049412C-YT9Y1-S-01Pool 1 Study Sample
SA049413C-YS5B8-S-01Pool 1 Study Sample
SA049414C-GWR32-S-01Pool 1 Study Sample
SA049415C-LSVC6-S-01Pool 1 Study Sample
SA049416C-HZ9K6-S-01Pool 1 Study Sample
SA049417C-L81U3-S-01Pool 1 Study Sample
SA049418C-HZLV3-S-01Pool 1 Study Sample
SA049419C-Z9QK7-S-01Pool 1 Study Sample
SA049420C-LKYY2-S-01Pool 1 Study Sample
SA049421C-LREB8-S-01Pool 1 Study Sample
SA049422C-YNUT7-S-01Pool 1 Study Sample
SA049423C-Y7R42-S-01Pool 1 Study Sample
SA049424C-PE2U9-S-01Pool 1 Study Sample
SA049425C-PA2S2-S-01Pool 1 Study Sample
SA049426C-XJJ07-S-01Pool 1 Study Sample
SA049427C-XDYH3-S-01Pool 1 Study Sample
SA049428C-XDCY7-S-01Pool 1 Study Sample
SA049429C-P6D39-S-01Pool 1 Study Sample
SA049430C-P5JW6-S-01Pool 1 Study Sample
SA049431C-Y6R10-S-01Pool 1 Study Sample
SA049432C-Y7GG1-S-01Pool 1 Study Sample
SA049433C-Y5941-S-01Pool 1 Study Sample
SA049434C-P4YE3-S-01Pool 1 Study Sample
SA049435C-Y0QW1-S-01Pool 1 Study Sample
SA049436C-L6W26-S-01Pool 1 Study Sample
SA049437C-J2DF2-S-01Pool 1 Study Sample
SA049438C-H78F5-S-01Pool 1 Study Sample
SA049439C-N12H4-S-01Pool 1 Study Sample
SA049440C-JWAY2-S-01Pool 1 Study Sample
SA049441C-JVGS1-S-01Pool 1 Study Sample
SA049442C-KK418-S-01Pool 1 Study Sample
SA049443C-N1099-S-01Pool 1 Study Sample
SA049444C-N2BA1-S-01Pool 1 Study Sample
SA049445C-KADN0-S-01Pool 1 Study Sample
SA049446C-N3BN0-S-01Pool 1 Study Sample
SA049447C-KDD41-S-01Pool 1 Study Sample
SA049448C-GY7T1-S-01Pool 1 Study Sample
SA049449C-KH9B3-S-01Pool 1 Study Sample
SA049450C-KBHQ8-S-01Pool 1 Study Sample
SA049451C-KLF75-S-01Pool 1 Study Sample
SA049452C-GXF72-S-01Pool 1 Study Sample
SA049453C-L18P2-S-01Pool 1 Study Sample
SA049454C-NL6M0-S-01Pool 1 Study Sample
SA049455C-J4UV6-S-01Pool 1 Study Sample
SA049456C-L3VQ6-S-01Pool 1 Study Sample
SA049457C-KDJS6-S-01Pool 1 Study Sample
SA049458C-L09R9-S-01Pool 1 Study Sample
SA049459C-MKL04-S-01Pool 1 Study Sample
SA049460C-JHFP0-S-01Pool 1 Study Sample
SA049461C-KNVW4-S-01Pool 1 Study Sample
SA049462C-PELM1-S-01Pool 1 Study Sample
SA049463C-JGTC7-S-01Pool 1 Study Sample
SA049464C-NJ771-S-01Pool 1 Study Sample
SA049465C-NLCG0-S-01Pool 1 Study Sample
SA049466C-HMS81-S-01Pool 1 Study Sample
SA049467C-UJZG4-S-01Pool 1 Study Sample
SA049468C-URD82-S-01Pool 1 Study Sample
SA049469C-UDS04-S-01Pool 1 Study Sample
SA049470C-UDH13-S-01Pool 1 Study Sample
SA049471C-TLVX7-S-01Pool 1 Study Sample
SA049472C-U4QU1-S-01Pool 1 Study Sample
SA049473C-USTJ3-S-01Pool 1 Study Sample
SA049474C-UY789-S-01Pool 1 Study Sample
SA049475C-VKGE4-S-01Pool 1 Study Sample
SA049476C-VQGD3-S-01Pool 1 Study Sample
SA049477C-VK1M9-S-01Pool 1 Study Sample
SA049478C-HKPH3-S-01Pool 1 Study Sample
SA049479C-V9LA8-S-01Pool 1 Study Sample
SA049480C-SXTV8-S-01Pool 1 Study Sample
SA049481C-SNM00-S-01Pool 1 Study Sample
SA049482C-QVLT7-S-01Pool 1 Study Sample
SA049483C-RJEY8-S-01Pool 1 Study Sample
SA049484C-QP2F7-S-01Pool 1 Study Sample
SA049485C-QHZ29-S-01Pool 1 Study Sample
SA049486C-QEUC3-S-01Pool 1 Study Sample
SA049487C-RV3J3-S-01Pool 1 Study Sample
SA049488C-RYUL8-S-01Pool 1 Study Sample
SA049489C-SD2X1-S-01Pool 1 Study Sample
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Collection ID:CO000898
Collection Summary:Human Chord Blood serum
Sample Type:Serum
Storage Conditions:-80 C


Treatment ID:TR000918
Treatment Summary:N/A

Sample Preparation:

Sampleprep ID:SP000911
Sampleprep Summary:A total of 200 serum samples and 2 CHEAR Serum Reference Material aliquots were thawed on ice for sample preparation, 150 uL of the thawed serum sample were transferred to labeled tubes on ice where they were mixed with 100 uL of NMR 0.9% Saline Solution containing 2.5 mM formate. Samples were randomly assigned to one of two pools, either Pool 1 or Pool 2. An aliquot of 15 uL of each study sample was added to create their corresponding pools. A 150 uL aliquot was taken from each pool to make 10 aliqouts. Another nine pools from the CHEAR reference material samples were aliquoted and processed along with the study samples and study pools. Pool aliquots were processed identically to the study samples, as described above. Sample tubes were vortexed for 4 minutes on a multi-tube vortexer and centrifuged at 16,000 rcf for 4 mininutes. A volume of 250 uL was taken from each sample supernatant and transferred into a pre-labeled 3mm NMR tube for data acquisition on a 600 MHz spectrometer.


Analysis ID:AN001414
Laboratory Name:David H Murdock Research Institute
Analysis Type:NMR
Software Version:TopSpin 3.2
Operator Name:Kevin Knagge
Detector Type:NMR
Data Format:fid, 1r
Num Factors:5
Num Metabolites:51


NMR ID:NM000108
Analysis ID:AN001414
Instrument Name:Bruker 600 MHz
Instrument Type:FT-NMR
NMR Experiment Type:1D 1H
NMR Comments:Data for this study were acquired on a 600 MHz Bruker NMR spectrometer. Data for the procficiency testing were acquired on a 700 MHz Bruker NMR spectrometer.
Field Frequency Lock:Deuterium
Standard Concentration:1 mM
Spectrometer Frequency:600 MHz
NMR Probe:5 mm ATMA Cryoprobe
NMR Solvent:D2O
NMR Tube Size:3 mm
Shimming Method:Topshim
Pulse Sequence:cpmgpr1d
Water Suppression:yes
Pulse Width:8.99 usec
Power Level:25.119 W
Receiver Gain:4
Offset Frequency:2817.40 Hz
Chemical Shift Ref Cpd:Formate
Temperature:298.1 K
Number Of Scans:128
Dummy Scans:4
Acquisition Time:4.5 s
Relaxation Delay:2 s
Spectral Width:12.0 ppm
Num Data Points Acquired:65536
Real Data Points:32768
Line Broadening:0.5 Hz
Zero Filling:yes
Baseline Correction Method:Polynomial
Chemical Shift Ref Std:Formate